N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine

C14H16FN3O — CID 64856226

IUPACN-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2F)nn1
InChIInChI=1S/C14H16FN3O/c1-3-16-9-11-5-7-14(18-17-11)19-13-8-10(2)4-6-12(13)15/h4-8,16H,3,9H2,1-2H3
InChIKeyOOAJJXSKHNAODL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.83
Rot. Bonds5

About N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine

N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 64856226) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID64856226
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2F)nn1
InChIInChI=1S/C14H16FN3O/c1-3-16-9-11-5-7-14(18-17-11)19-13-8-10(2)4-6-12(13)15/h4-8,16H,3,9H2,1-2H3
InChIKeyOOAJJXSKHNAODL-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62296786
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297651
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridazin-3-yl]methyl]ethanamine
CID 106597805
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine (CID 64856226) is N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(Oc2cc(C)ccc2F)nn1.
What is the InChIKey of N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is OOAJJXSKHNAODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-9-11-5-7-14(18-17-11)19-13-8-10(2)4-6-12(13)15/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 64856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).